SCHEMBL11005802

SCHEMBL11005802

CCC(O)C(Oc1ccc(Oc2ncc(C(F)(F)F)cc2Cl)cc1)C(=O)O

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.62
FFAR1 O14842 1/20 0.61
LMNA P02545 6/20 0.59
LIPE Q05469 1/20 0.55
ALDH1A1 P00352 5/20 0.53
MAPT P10636 3/20 0.50
HTT P42858 2/20 0.50
POLB P06746 1/20 0.50
SCN9A Q15858 1/20 0.50
XBP1 P17861 2/20 0.49
KMT2A Q03164 2/20 0.49
MEN1 O00255 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
RAB9A P51151 1/20 0.49
KDM4E B2RXH2 2/20 0.48
HPGD P15428 2/20 0.48
ATM Q13315 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
PPARG P37231 1/20 0.47

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3672003 0.87 SMN1; SMN2 (0.64) SMN1; SMN2FFAR1LMNALIPEALDH1A1
SCHEMBL12668050 0.85 SMN1; SMN2 (0.66) SMN1; SMN2FFAR1LMNALIPEALDH1A1
Haloxyfop SCHEMBL29426466 0.84 SMN1; SMN2 (0.65) SMN1; SMN2FFAR1LMNALIPEALDH1A1
Haloxyfop-R-Methyl SCHEMBL29730427 0.84 SMN1; SMN2 (0.65) SMN1; SMN2FFAR1LMNALIPEALDH1A1
Haloxyfop SCHEMBL9140176 0.84 SMN1; SMN2 (0.65) SMN1; SMN2FFAR1LMNALIPEALDH1A1
Haloxyfop SCHEMBL33627 0.84 SMN1; SMN2 (0.65) SMN1; SMN2FFAR1LMNALIPEALDH1A1
Haloxyfop SCHEMBL29792114 0.84 SMN1; SMN2 (0.65) SMN1; SMN2FFAR1LMNALIPEALDH1A1
Haloxyfop-R-Methyl SCHEMBL119996 0.84 SMN1; SMN2 (0.65) SMN1; SMN2FFAR1LMNALIPEALDH1A1
Haloxyfop SCHEMBL3675562 0.84 SMN1; SMN2 (0.65) SMN1; SMN2FFAR1LMNALIPEALDH1A1
Haloxyfop SCHEMBL1560810 0.84 SMN1; SMN2 (0.65) SMN1; SMN2FFAR1LMNALIPEALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4561882-A HERBICIDES ZOECON CORPORATION (US) 1985-12-31 US disclosed